# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90S' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 4.25900 -1.27100 -0.23000 1.000 C1 C -0.99900 3.15600 0.43000 1.000 C2 C 4.20600 -0.04200 0.43100 1.000 C3 C 2.93600 0.45100 0.18800 1.000 C4 C 2.37600 1.72500 0.66700 1.000 C5 C 0.52200 3.41600 0.56700 1.000 C6 C 6.38600 -1.78700 -1.39500 1.000 C7 C 6.18000 -2.15100 1.06800 1.000 C8 C -1.04000 2.18200 -0.77700 1.000 C9 C 0.23700 1.33800 -0.58500 1.000 C10 C -2.35600 0.18000 -0.02900 1.000 C11 C -3.60800 -0.29200 -0.23300 1.000 C12 C 5.43900 -2.20700 -0.27000 1.000 C13 C -4.27200 0.60200 -1.08100 1.000 N14 N 1.15600 2.12200 0.25400 1.000 N15 N -2.23400 1.33500 -0.71800 1.000 N16 N -3.44800 1.57500 -1.37500 1.000 N17 N 2.30600 -0.48200 -0.58700 1.000 N18 N 3.10000 -1.46800 -0.80500 1.000 O19 O 3.01400 2.41900 1.43500 1.000 Br20 Br -4.33200 -1.87800 0.49700 1.000 H21 H -1.39700 2.68300 1.32800 1.000 H22 H -1.53500 4.07800 0.20600 1.000 H23 H 4.99000 0.42500 1.00900 1.000 H24 H 0.84300 4.17800 -0.14300 1.000 H25 H 0.76400 3.72200 1.58500 1.000 H26 H 6.73500 -0.77000 -1.21600 1.000 H27 H 7.24000 -2.46400 -1.42400 1.000 H28 H 5.85800 -1.82700 -2.34800 1.000 H29 H 6.52900 -1.13400 1.24700 1.000 H30 H 5.50500 -2.45000 1.87000 1.000 H31 H 7.03400 -2.82800 1.03900 1.000 H32 H -1.00500 2.73100 -1.71700 1.000 H33 H -0.00900 0.40000 -0.08700 1.000 H34 H 0.69700 1.13500 -1.55200 1.000 H35 H -1.59300 -0.28200 0.58000 1.000 H36 H 5.09000 -3.22400 -0.44900 1.000 H37 H -5.28900 0.50600 -1.43100 1.000 H38 H 1.39700 -0.41200 -0.91800 1.000